130265

2-Nitropropane

≥96%

• Synonym(s): Isonitropropane, Nitro propane
• Linear Formula: CH₃CH(NO₂)CH₃
• CAS Number: 79-46-9
• Molecular Weight: 89.09
• Beilstein: 1740684
• EC Number: 201-209-1
• MDL number: MFCD00007397
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847954
• NACRES: NA.22

Properties

• vapor density: ~3 (vs air)
• Quality Level: 200
• vapor pressure: ~13 mmHg ( 20 °C)
• Assay: ≥96%
• autoignition temp.: 802 °F
• refractive index: n20/D 1.394 (lit.)
• bp: 120 °C (lit.)
• mp: −93 °C (lit.)
• solubility: H₂O: slightly soluble; organic solvents: miscible
• density: 0.992 g/mL at 25 °C (lit.)
• functional group: amine; nitro
• SMILES string: CC(C)[N+]([O-])=O
• InChI: 1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
• InChI key: FGLBSLMDCBOPQK-UHFFFAOYSA-N

Description

General description

2-Nitropropane can be converted to mutagenic metabolites by human SULT1A1.

Application

2-Nitropropane was used to prepare 5,5-Dimethylpyrroline N-oxide and 5,5-di(trideuteromethyl)pyrroline N-oxide. It was also used to determine the concordance of results for a pair of structural isomers, 2-nitropropane (2-NP) and 1-nitropropane (1-NP).

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H226,H302,H331,H341,H350,H412
• Precautionary Statements: P202 - P210 - P273 - P301 + P312 - P304 + P340 + P311 - P308 + P313
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Carc. 1B - Flam. Liq. 3 - Muta. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 78.8 °F - closed cup
• Flash Point(C): 26 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves